5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C73H67N5O — CID 155636719

About 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 155636719) has the molecular formula C73H67N5O and a molecular weight of 1030.37 g/mol. Its IUPAC name is 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 155636719
• Molecular Formula: C73H67N5O
• Molecular Weight: 1030.37 g/mol
• Exact Mass: 1029.53
• IUPAC Name: 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C73H67N5O/c1-70(2,3)47-37-45(38-48(42-47)71(4,5)6)68-74-67(75-69(76-68)46-39-49(72(7,8)9)43-50(40-46)73(10,11)12)44-33-35-62(78-61-31-21-16-27-56(61)65-63(78)36-34-55-54-26-17-22-32-64(54)79-66(55)65)57(41-44)53-25-15-20-30-60(53)77-58-28-18-13-23-51(58)52-24-14-19-29-59(52)77/h13-43H,1-12H3
• InChIKey: IZUGVGAMCJYENK-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.37
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 155636719) is 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc(C(C)(C)C)c1.

What is the InChIKey of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is IZUGVGAMCJYENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H67N5O/c1-70(2,3)47-37-45(38-48(42-47)71(4,5)6)68-74-67(75-69(76-68)46-39-49(72(7,8)9)43-50(40-46)73(10,11)12)44-33-35-62(78-61-31-21-16-27-56(61)65-63(78)36-34-55-54-26-17-22-32-64(54)79-66(55)65)57(41-44)53-25-15-20-30-60(53)77-58-28-18-13-23-51(58)52-24-14-19-29-59(52)77/h13-43H,1-12H3.

What are the key properties of 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1030.37 g/mol, XLogP of 19.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155636719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).